SCHEMBL7997560

SCHEMBL7997560

C=CCOc1c(OCCCC)c2ccc(NCc3ccccc3)cc2n(CCCCCCCC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
PSEN1 P49768 7/20 0.40
PSEN2 P49810 7/20 0.40
APH1B Q8WW43 7/20 0.40
NCSTN Q92542 7/20 0.40
APH1A Q96BI3 7/20 0.40
PSENEN Q9NZ42 7/20 0.40
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.38
FFAR1 O14842 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7998854 0.98 ADRA2A (0.45) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8001552 0.93 ADRA2A (0.45) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7988631 0.92 ADRA2A (0.50) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8001986 0.92 ADRA2A (0.50) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8076366 0.92 ADRA2A (0.42) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL7988983 0.91 ADRA2A (0.51) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8000857 0.91 ADRA2A (0.51) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8001321 0.90 KDM4E (0.46) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8076370 0.89 ADRA2A (0.42) ADRA2APSEN1PSEN2APH1BNCSTN
SCHEMBL8004450 0.88 ADRA2A (0.43) ADRA2APSEN1PSEN2APH1BNCSTN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed